7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C29H28N6 — CID 145371765

IUPAC7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCN[C@H]2C[C@@H](c3ccccc3)c3ccccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1
InChIKeyPUZMDZNRNPQCRQ-DSBYRVASSA-N
MW460.59 g/mol
LogP5.32
Rot. Bonds7

About 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371765) has the molecular formula C29H28N6 and a molecular weight of 460.59 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371765
Molecular FormulaC29H28N6
Molecular Weight460.59 g/mol
Exact Mass460.24
IUPAC Name7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCN[C@H]2C[C@@H](c3ccccc3)c3ccccc32)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1
InChIKeyPUZMDZNRNPQCRQ-DSBYRVASSA-N
XLogP5.32
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

L-158809
CID 183134
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
2-Ethyl-5,7-Dimethyl-3-{(1s)-5-[2-(1h-Tetrazol-5-Yl)phenyl]-2,3-Dihydro-1h-Inden-1-Yl}-3h-Imidazo[4,5-B]pyridine
CID 54178446
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076145
5,7-dimethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076146
3-(2-(trifluoromethyl)benzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 16111777
2-ethyl-5,7-dimethyl-3-[[4-[5-propyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44372744
3H-IMidazo[4,5-b]pyridine, 3-[(1S)-2,3-dihydro-5-[2-(2H-tetrazol-5-yl)phenyl]-1H-inden-1-yl]-2-ethyl-7-Methyl-5-(2-Methylpropyl)-
CID 45102750

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371765) is 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCN[C@H]2C[C@@H](c3ccccc3)c3ccccc32)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is PUZMDZNRNPQCRQ-DSBYRVASSA-N. The full InChI is InChI=1S/C29H28N6/c30-27-18-25(28-29(32-27)34-35-33-28)21(19-9-3-1-4-10-19)15-16-31-26-17-24(20-11-5-2-6-12-20)22-13-7-8-14-23(22)26/h1-14,18,21,24,26,31H,15-17H2,(H3,30,32,33,34,35)/t21-,24+,26+/m1/s1.
What are the key properties of 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 460.59 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-phenyl-3-[[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).